SCHEMBL1138084

SCHEMBL1138084

O=C(O)COCC=CCN1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.60
HRH1 P35367 5/20 0.58
SLC6A2 P23975 3/20 0.58
HTR2A P28223 3/20 0.58
SLC6A4 P31645 3/20 0.58
DRD3 P35462 3/20 0.58
HTR2B P41595 3/20 0.58
SLC6A3 Q01959 3/20 0.58
KCNH2 Q12809 3/20 0.58
TDP1 Q9NUW8 2/20 0.58
HRH2 P25021 1/20 0.58
TEK Q02763 1/20 0.58
USP2 O75604 1/20 0.58
OPRD1 P41143 7/20 0.56
LMNA P02545 3/20 0.56
CYP3A4 P08684 3/20 0.56
HIF1A Q16665 3/20 0.56
CYP2D6 P10635 3/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2C9 P11712 2/20 0.56

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1138082 1.00 NPC1 (0.60) NPC1HRH1SLC6A2HTR2ASLC6A4
Hydrochloric Acid SCHEMBL1138342 0.99 HRH1 (0.58) NPC1HRH1SLC6A2HTR2ASLC6A4
Hydrochloric Acid SCHEMBL1138343 0.99 HRH1 (0.58) NPC1HRH1SLC6A2HTR2ASLC6A4
SCHEMBL1138165 0.93 LMNA (0.60) NPC1HRH1SLC6A2HTR2ASLC6A4
SCHEMBL1138127 0.93 HRH1 (0.69) NPC1HRH1SLC6A2HTR2ASLC6A4
SCHEMBL5623785 0.93 HRH1 (0.69) NPC1HRH1SLC6A2HTR2ASLC6A4
SCHEMBL5623789 0.93 HRH1 (0.69) NPC1HRH1SLC6A2HTR2ASLC6A4
SCHEMBL1138130 0.93 HRH1 (0.69) NPC1HRH1SLC6A2HTR2ASLC6A4
SCHEMBL1138215 0.93 HRH1 (0.69) NPC1HRH1SLC6A2HTR2ASLC6A4
SCHEMBL1138170 0.93 LMNA (0.60) NPC1HRH1SLC6A2HTR2ASLC6A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487810-B9 4-(DIARYLMETHYL)-1-PIPERAZINYL DERIVATIVES SUN PHARMA ADVANCED RES CO LTD (IN) 2011-02-23 EP claimed
EP-1487810-B1 4-(DIARYLMETHYL)-1-PIPERAZINYL DERIVATIVES SUN PHARMA ADVANCED RES CO LTD (IN) 2010-02-17 EP claimed
US-7297697-B2 with alkenyl moiety substituted at the 1-position of the piperazine unit; useful in the treatment of histamine mediated diseases SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2007-11-20 US claimed
US-20050107393-A1 4-(diarylmethyl)-1-piperazinyl derivatives SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2005-05-19 US claimed
EP-1487810-B9 4-(DIARYLMETHYL)-1-PIPERAZINYL DERIVATIVES SUN PHARMA ADVANCED RES CO LTD (IN) 2011-02-23 EP disclosed
EP-1487810-B1 4-(DIARYLMETHYL)-1-PIPERAZINYL DERIVATIVES SUN PHARMA ADVANCED RES CO LTD (IN) 2010-02-17 EP disclosed
US-7297697-B2 with alkenyl moiety substituted at the 1-position of the piperazine unit; useful in the treatment of histamine mediated diseases SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2007-11-20 US disclosed
US-20050107393-A1 4-(diarylmethyl)-1-piperazinyl derivatives SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2005-05-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050107393-A1 4-(diarylmethyl)-1-piperazinyl derivatives NPY2R, NPY1R, CBR3 NPC1 1689/4885HRH1 111/4885SLC6A2 1722/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.